3-indol-1-ylbenzaldehyde

C15H11NO — CID 175205647

IUPAC3-indol-1-ylbenzaldehyde
SMILESO=Cc1cccc(-n2ccc3ccccc32)c1
InChIInChI=1S/C15H11NO/c17-11-12-4-3-6-14(10-12)16-9-8-13-5-1-2-7-15(13)16/h1-11H
InChIKeyDKSJLPVXPLELDD-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.44
Rot. Bonds2

About 3-indol-1-ylbenzaldehyde

3-indol-1-ylbenzaldehyde (PubChem CID 175205647) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-indol-1-ylbenzaldehyde.

Molecular Properties

Compound Name3-indol-1-ylbenzaldehyde
PubChem CID175205647
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-indol-1-ylbenzaldehyde
SMILESO=Cc1cccc(-n2ccc3ccccc32)c1
InChIInChI=1S/C15H11NO/c17-11-12-4-3-6-14(10-12)16-9-8-13-5-1-2-7-15(13)16/h1-11H
InChIKeyDKSJLPVXPLELDD-UHFFFAOYSA-N
XLogP3.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-indol-1-ylbenzamide;hydrochloride
CID 70409706
1-(4-chlorophenyl)indole-6-carbaldehyde
CID 122476059
1-(3,5-difluorophenyl)indole-6-carbaldehyde
CID 122475993
2-indol-1-ylbenzaldehyde
CID 22400862
4-(1-oxoisoquinolin-2-yl)benzaldehyde
CID 123457542
1-(4-chloro-3-fluorophenyl)indole
CID 91422915
1-[4-(4-methylpiperazin-1-yl)phenyl]indole-6-carbaldehyde
CID 89494117
3-(3-methylindazol-1-yl)benzaldehyde
CID 105497706
4-(4-methylindol-1-yl)benzaldehyde
CID 139851762
13-(3-indol-1-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 151443133
CID 102409239
CID 102409239
4-indol-1-ylbenzamide
CID 10879114

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-ylbenzaldehyde?
The IUPAC name of 3-indol-1-ylbenzaldehyde (CID 175205647) is 3-indol-1-ylbenzaldehyde.
What is the SMILES notation for 3-indol-1-ylbenzaldehyde?
The canonical SMILES for 3-indol-1-ylbenzaldehyde is O=Cc1cccc(-n2ccc3ccccc32)c1.
What is the InChIKey of 3-indol-1-ylbenzaldehyde?
The InChIKey is DKSJLPVXPLELDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-11-12-4-3-6-14(10-12)16-9-8-13-5-1-2-7-15(13)16/h1-11H.
What are the key properties of 3-indol-1-ylbenzaldehyde?
3-indol-1-ylbenzaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-ylbenzaldehyde is sourced from PubChem (CID 175205647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).